1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea

C15H27N3O4S — CID 138010322

IUPAC1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea
SMILESCN(C[C@]12CCC[C@H]1OCC2)C(=O)NC1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H27N3O4S/c1-18(10-15-5-3-4-13(15)22-7-6-15)14(19)16-11-8-12(9-11)17-23(2,20)21/h11-13,17H,3-10H2,1-2H3,(H,16,19)/t11?,12?,13-,15-/m1/s1
InChIKeyRDUJCGUHPJISCA-UJFKTDLFSA-N
MW345.47 g/mol
LogP0.67
Rot. Bonds5

About 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea

1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea (PubChem CID 138010322) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea.

Molecular Properties

Compound Name1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea
PubChem CID138010322
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea
SMILESCN(C[C@]12CCC[C@H]1OCC2)C(=O)NC1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H27N3O4S/c1-18(10-15-5-3-4-13(15)22-7-6-15)14(19)16-11-8-12(9-11)17-23(2,20)21/h11-13,17H,3-10H2,1-2H3,(H,16,19)/t11?,12?,13-,15-/m1/s1
InChIKeyRDUJCGUHPJISCA-UJFKTDLFSA-N
XLogP0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea with MolForge

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Related Compounds

methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate
CID 165450852
2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
2-[[3-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026101
1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 113246620
3-[(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122009899
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 136586822
N-cycloheptylmethanesulfonamide
CID 3113423
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
1-[(1-hydroxycycloheptyl)methyl]-1-methyl-3-[(1R,3R)-1-oxothiolan-3-yl]urea
CID 124890300

Frequently Asked Questions

What is the IUPAC name of 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea?
The IUPAC name of 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea (CID 138010322) is 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea.
What is the SMILES notation for 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea?
The canonical SMILES for 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea is CN(C[C@]12CCC[C@H]1OCC2)C(=O)NC1CC(NS(C)(=O)=O)C1.
What is the InChIKey of 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea?
The InChIKey is RDUJCGUHPJISCA-UJFKTDLFSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-18(10-15-5-3-4-13(15)22-7-6-15)14(19)16-11-8-12(9-11)17-23(2,20)21/h11-13,17H,3-10H2,1-2H3,(H,16,19)/t11?,12?,13-,15-/m1/s1.
What are the key properties of 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea?
1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea has a molecular weight of 345.47 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea is sourced from PubChem (CID 138010322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).